SCHEMBL17058225

SCHEMBL17058225

CC(=O)c1cc(CSN2CCN(c3cnn(-c4ccccc4)c(=O)c3OCC3(C)CC3)CC2)ccc1[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LIN28A Q9H9Z2 1/20 0.37
▸ MAPT P10636 4/20 0.35
▸ ALDH1A1 P00352 7/20 0.34
▸ DCTPP1 Q9H773 4/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ PPARG P37231 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ NR2E3 Q9Y5X4 1/20 0.34
▸ NCOR2 Q9Y618 1/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ LMNA P02545 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ NPC1 O15118 3/20 0.33
▸ RAB9A P51151 3/20 0.33
▸ SIRT6 Q8N6T7 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17058190 0.89 LIN28A (0.36) LIN28AMAPTALDH1A1DCTPP1RXFP1
SCHEMBL17058476 0.82 PPARG (0.37) MAPTALDH1A1DCTPP1RXFP1PPARG
SCHEMBL11945675 0.81 POLB (0.41) MAPTALDH1A1DCTPP1PPARGNPSR1
SCHEMBL17058472 0.80 NPSR1 (0.37) MAPTALDH1A1DCTPP1RXFP1PPARG
SCHEMBL17058560 0.80 SMN1; SMN2 (0.38) MAPTALDH1A1DCTPP1RXFP1PPARG
SCHEMBL17058272 0.80 NPSR1 (0.36) MAPTALDH1A1DCTPP1RXFP1PPARG
SCHEMBL17058536 0.80 ALDH1A1 (0.43) MAPTALDH1A1DCTPP1RXFP1SMN1; SMN2
SCHEMBL17058565 0.78 DCTPP1 (0.37) MAPTALDH1A1DCTPP1RXFP1SMN1; SMN2
SCHEMBL17058147 0.77 SMN1; SMN2 (0.39) MAPTALDH1A1DCTPP1RXFP1PPARG
SCHEMBL11945708 0.77 POLB (0.41) LIN28AMAPTALDH1A1DCTPP1RXFP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2137179-B1 PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS MERCK SHARP & DOHME (US) 2015-09-02 — — EP disclosed
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